============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 -4.501 22.328 9.497 -99.200 -91.000 HIS 5 0.900 -4.099 29.748 11.080 -99.200 -91.000 TYR 12 0.840 1.282 22.529 13.927 -99.200 -91.000 HIS 42 0.900 16.339 14.749 -3.178 -99.200 -91.000 HIS 45 0.900 13.999 14.702 0.181 -99.200 -91.000 PHE 65 1.000 15.118 14.627 15.064 -99.200 -91.000 PHE 71 1.000 23.548 11.593 10.447 -99.200 -91.000 TYR 80 0.840 21.840 14.667 6.085 -99.200 -91.000 PHE 100 1.000 7.045 16.539 14.679 -99.200 -91.000 TYR 108 0.840 16.373 10.588 19.598 -99.200 -91.000 HIS 133 0.900 22.174 4.290 8.766 -99.200 -91.000 PHE 134 1.000 19.935 0.275 7.305 -99.200 -91.000 PHE 154 1.000 2.545 8.635 0.715 -99.200 -91.000 PHE 155 1.000 9.636 5.785 4.971 -99.200 -91.000 TYR 160 0.840 14.257 -2.484 -2.722 -99.200 -91.000 PHE 173 1.000 8.610 -3.282 16.875 -99.200 -91.000 TYR 199 0.840 28.191 17.116 0.472 -99.200 -91.000 HIS 220 0.900 16.815 -2.366 -20.687 -99.200 -91.000 TYR 247 0.840 26.189 -2.435 -1.337 -99.200 -91.000 PHE 288 1.000 9.151 -14.344 -13.521 -99.200 -91.000